Information card for entry 7211054

Structure parameters

• Formula: C20 H12 N2 O4 Pb
• Calculated formula: C20 H12 N2 O4 Pb
• SMILES: [Pb]12(OC(=O)c3[n]1c1c(cc3)cccc1)OC(=O)c1[n]2c2c(cc1)cccc2
• Title of publication: Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers
• Authors of publication: Akhbari, Kamran; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8915
• a: 16.581 ± 0.006 Å
• b: 7.331 ± 0.003 Å
• c: 14.377 ± 0.006 Å
• α: 90°
• β: 109.247 ± 0.006°
• γ: 90°
• Cell volume: 1649.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No